1-fluoro-6-iminohept-1-en-3-one

C7H10FNO — CID 123365402

IUPAC1-fluoro-6-iminohept-1-en-3-one
SMILES[H]/N=C(\C)CCC(=O)C=CF
InChIInChI=1S/C7H10FNO/c1-6(9)2-3-7(10)4-5-8/h4-5,9H,2-3H2,1H3/b5-4?,9-6+
InChIKeyDWIIJEXJMAYWRT-YBLGFFCBSA-N
MW143.16 g/mol
LogP1.86
Rot. Bonds4

About 1-fluoro-6-iminohept-1-en-3-one

1-fluoro-6-iminohept-1-en-3-one (PubChem CID 123365402) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-fluoro-6-iminohept-1-en-3-one.

Molecular Properties

Compound Name1-fluoro-6-iminohept-1-en-3-one
PubChem CID123365402
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name1-fluoro-6-iminohept-1-en-3-one
SMILES[H]/N=C(\C)CCC(=O)C=CF
InChIInChI=1S/C7H10FNO/c1-6(9)2-3-7(10)4-5-8/h4-5,9H,2-3H2,1H3/b5-4?,9-6+
InChIKeyDWIIJEXJMAYWRT-YBLGFFCBSA-N
XLogP1.86
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Malonyl-bis-ethyleneimine
CID 129818723
2-Iminohept-6-en-3-one
CID 123621862
7-Iminooct-1-en-3-one
CID 129045735
7-Iminooct-1-en-4-one
CID 138741480
4-Iminohex-1-en-3-one
CID 141220668
7-Iminonona-1,8-dien-3-one
CID 154380491
6-Iminoocta-1,7-dien-3-one
CID 177738731

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-iminohept-1-en-3-one?
The IUPAC name of 1-fluoro-6-iminohept-1-en-3-one (CID 123365402) is 1-fluoro-6-iminohept-1-en-3-one.
What is the SMILES notation for 1-fluoro-6-iminohept-1-en-3-one?
The canonical SMILES for 1-fluoro-6-iminohept-1-en-3-one is [H]/N=C(\C)CCC(=O)C=CF.
What is the InChIKey of 1-fluoro-6-iminohept-1-en-3-one?
The InChIKey is DWIIJEXJMAYWRT-YBLGFFCBSA-N. The full InChI is InChI=1S/C7H10FNO/c1-6(9)2-3-7(10)4-5-8/h4-5,9H,2-3H2,1H3/b5-4?,9-6+.
What are the key properties of 1-fluoro-6-iminohept-1-en-3-one?
1-fluoro-6-iminohept-1-en-3-one has a molecular weight of 143.16 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-iminohept-1-en-3-one is sourced from PubChem (CID 123365402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).